SCHEMBL1944902

SCHEMBL1944902

C[CH][C@@H](O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
KDM4E B2RXH2 3/20 0.44
ADRA2C P18825 2/20 0.44
ADRA2A P08913 1/20 0.44
HIF1A Q16665 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.42
TSHR P16473 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA1A P35348 1/20 0.41
AOC3 Q16853 1/20 0.41
RGS12 O14924 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2121638 1.00 LMNA (0.46) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL9460583 1.00 LMNA (0.46) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL22616865 0.80 MEN1 (0.60) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL560387 0.80 MEN1 (0.60) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL95469 0.80 MEN1 (0.60) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL9656453 0.78 LMNA (0.46) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL9656438 0.78 LMNA (0.46) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL27641817 0.77 ESR1 (0.50) LMNAKDM4EHIF1AALDH1A1TSHR
SCHEMBL11879383 0.76 LMNA (0.44) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL9271112 0.75 KDM4E (0.48) LMNAKDM4EADRA2CADRA2AHIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-8426449-B2 Aminoalkylphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-04-23 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
US-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
US-5212311-A Catalysts TOSOH CORPORATION (JP) 1993-05-18 US disclosed
US-5079359-A Ligand to metals with Lewis acidity, catalyst for assymetric synthesis TOSOH CORPORATION (JP) 1992-01-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 LMNA 3442/4885KDM4E 1973/4885ADRA2C 1643/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 LMNA 3442/4885KDM4E 1973/4885ADRA2C 1643/4885
US-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 LMNA 2302/4885KDM4E 4753/4885ADRA2C 31/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.